5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

C14H20BrFN2O2S — CID 60609677

IUPAC5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O2S/c15-12-5-6-13(16)14(11-12)21(19,20)17-7-4-10-18-8-2-1-3-9-18/h5-6,11,17H,1-4,7-10H2
InChIKeyREULJDLVJIOFQW-UHFFFAOYSA-N
MW379.30 g/mol
LogP2.74
Rot. Bonds6

About 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide

5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 60609677) has the molecular formula C14H20BrFN2O2S and a molecular weight of 379.30 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID60609677
Molecular FormulaC14H20BrFN2O2S
Molecular Weight379.30 g/mol
Exact Mass378.04
IUPAC Name5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESO=S(=O)(NCCCN1CCCCC1)c1cc(Br)ccc1F
InChIInChI=1S/C14H20BrFN2O2S/c15-12-5-6-13(16)14(11-12)21(19,20)17-7-4-10-18-8-2-1-3-9-18/h5-6,11,17H,1-4,7-10H2
InChIKeyREULJDLVJIOFQW-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47031499
5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 8843266
4-bromo-2-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 116527840
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
5-bromo-N-[3-(ethylsulfonylamino)propyl]-2-fluorobenzenesulfonamide
CID 60609518
1-(5-bromo-2-fluorophenyl)sulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 60609536
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
4-chloro-2-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206353
5-amino-2-bromo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65207152
2-amino-5-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 60986438
4-fluoro-3-(3-morpholin-4-ylpropylsulfamoyl)benzoic acid
CID 4135399

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide (CID 60609677) is 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is O=S(=O)(NCCCN1CCCCC1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is REULJDLVJIOFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2S/c15-12-5-6-13(16)14(11-12)21(19,20)17-7-4-10-18-8-2-1-3-9-18/h5-6,11,17H,1-4,7-10H2.
What are the key properties of 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide?
5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 379.30 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 60609677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).